2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]propanoic acid

Systemtic Name: 2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]propanoic acid Openeye Name: 2-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]propanoic acid CAS Name: 2-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]propanoic acid Traditional Name: 2-[(1-tosylisonipecotoyl)amino]propionic acid Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C)C(=O)O

InChI

InChI=1S/C16H22N2O5S/c1-11-3-5-14(6-4-11)24(22,23)18-9-7-13(8-10-18)15(19)17-12(2)16(20)21/h3-6,12-13H,7-10H2,1-2H3,(H,17,19)(H,20,21)